Sugi Predict

Sugi Predict / Compounds / SCHEMBL21458804

SCHEMBL21458804

SCHEMBL21458804

CCOC(=O)COCC(NC(=O)OC(C)(C)C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 2/20 0.45
▸ PRMT5 O14744 1/20 0.41
▸ WDR77 Q9BQA1 1/20 0.41
▸ TSHR P16473 1/20 0.40
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NLRP3 Q96P20 1/20 0.34
▸ DGAT1 O75907 1/20 0.34
▸ PTPRB P23467 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.33
▸ P4HB P07237 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ PPARA Q07869 1/20 0.33
▸ PTPN1 P18031 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21458801 1.00 AAK1 (0.45) AAK1PRMT5WDR77TSHRTP53
SCHEMBL21458589 0.88 AAK1 (0.48) AAK1PRMT5WDR77DGAT1ALDH1A1
SCHEMBL21458590 0.88 AAK1 (0.48) AAK1PRMT5WDR77DGAT1ALDH1A1
SCHEMBL2566663 0.83 AAK1 (0.53) AAK1PRMT5WDR77CYP1A2CYP2C9
SCHEMBL15092585 0.83 AAK1 (0.53) AAK1PRMT5WDR77CYP1A2CYP2C9
SCHEMBL15092929 0.83 AAK1 (0.53) AAK1PRMT5WDR77CYP1A2CYP2C9
SCHEMBL17844760 0.82 TSHR (0.48) TSHRTP53CYP1A2CYP2C9CYP2C19
SCHEMBL21458419 0.81 MAPT (0.47) AAK1TSHRTP53CYP1A2CYP2C9
SCHEMBL21458417 0.81 MAPT (0.47) AAK1TSHRTP53CYP1A2CYP2C9
SCHEMBL30664752 0.81 AAK1 (0.53) AAK1PRMT5WDR77DGAT1HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12552783-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2026-02-17 — — US disclosed
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE YALE UNIVERSITY 2022-12-22 — — US disclosed
US-11161841-B2 Modulators of proteolysis and associated methods of use ARVINAS OPERATIONS, INC. (US) 2021-11-02 — — US disclosed
CN-112218859-A Modulators of proteolysis and related methods of use 阿尔维纳斯运营股份有限公司 2021-01-12 — — CN disclosed
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. 2019-10-17 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190315732-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL AAK1 2388/4885PRMT5 1171/4885WDR77 1271/4885
US-20220402907-A1 MODULATORS OF PROTEOLYSIS AND ASSOCIATED METHODS OF USE MDM2, CRBN, VHL AAK1 2388/4885PRMT5 1171/4885WDR77 1271/4885
US-12552783-B2 Modulators of proteolysis and associated methods of use CRBN, ADRM1, MDM2 AAK1 3439/4885PRMT5 716/4885WDR77 1159/4885
US-11161841-B2 Modulators of proteolysis and associated methods of use MDM2, CRBN, VHL AAK1 2388/4885PRMT5 1171/4885WDR77 1271/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.